3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

C22H22N2O2 — CID 2965131

IUPAC3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16-9-10-21(25)20(12-16)19(18-7-3-2-4-8-18)13-22(26)24-15-17-6-5-11-23-14-17/h2-12,14,19,25H,13,15H2,1H3,(H,24,26)
InChIKeyFHUAOOUQHNPGMU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds6

About 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2965131) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2965131
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16-9-10-21(25)20(12-16)19(18-7-3-2-4-8-18)13-22(26)24-15-17-6-5-11-23-14-17/h2-12,14,19,25H,13,15H2,1H3,(H,24,26)
InChIKeyFHUAOOUQHNPGMU-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 2965131) is 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is FHUAOOUQHNPGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-9-10-21(25)20(12-16)19(18-7-3-2-4-8-18)13-22(26)24-15-17-6-5-11-23-14-17/h2-12,14,19,25H,13,15H2,1H3,(H,24,26).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide?
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2965131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).